(2S)-2-[[6-[(3-nitrophenyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol

Systemtic Name: (2S)-2-[[6-[(3-nitrophenyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol Openeye Name: (2S)-2-[[9-isopropyl-6-(3-nitroanilino)purin-2-yl]amino]butan-1-ol CAS Name: (2S)-2-[[6-(3-nitroanilino)-9-propan-2-yl-2-purinyl]amino]-1-butanol IUPAC Name: (2S)-2-[[6-(3-nitroanilino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol Traditional Name: (2S)-2-[[9-isopropyl-6-(3-nitroanilino)purin-2-yl]amino]butan-1-ol Formula: C18H23N7O3 MolecularWeight: 385.42032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC2=C(C(=N1)NC3=CC(=CC=C3)[N+](=O)[O-])N=CN2C(C)C

Isomeric SMILES

CC[C@@H](CO)NC1=NC2=C(C(=N1)NC3=CC(=CC=C3)[N+](=O)[O-])N=CN2C(C)C

InChI

InChI=1S/C18H23N7O3/c1-4-12(9-26)21-18-22-16(15-17(23-18)24(10-19-15)11(2)3)20-13-6-5-7-14(8-13)25(27)28/h5-8,10-12,26H,4,9H2,1-3H3,(H2,20,21,22,23)/t12-/m0/s1